ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
...
3
4
5
6
7
8
9
...
16
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Jun-2021	/initial_complexes Complex_17_H2	Ortuño Maqueda, Manuel Angel	Gaussian; 09; AM64L-G09RevC.01	Single point Structure	RM06	SDD 6-31G(D) 6-31G(D,P) GEN	-2133.58900411; Eh
	30-Jun-2021	/initial_complexes Complex_3_H	Ortuño Maqueda, Manuel Angel	Gaussian; 09; AM64L-G09RevC.01	Single point Structure	RM06	SDD 6-31G(D) 6-31G(D,P) GEN	-1771.22460343; Eh
	4-Jun-2018	10F	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-31+G**	-802.593075963; Eh
	4-Jun-2018	17F	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-31+G**	-2293.82125993; Eh
	4-Jun-2018	TS10-11F	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-31+G**	-802.558120418; Eh
	4-Jun-2018	TS08-09F	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-31+G**	-2007.56019224; Eh
	18-Mar-2019	Adduct_TBD	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-31+G**	-2044.23602411; Eh
	4-Oct-2021	/P2BMe24_system A-P2BMe24	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	6-311+G(D,P) GENECP	-4810.950479; Eh
	4-Oct-2021	/dnppe_system F-E-TS-dnppe	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	6-311+G(D,P) GENECP	-2986.3329265; Eh
	4-Oct-2021	/dnppe_system E-dnppe	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	6-311+G(D,P) GENECP	-2986.3895936; Eh

Results 51-60 of 151 (Search time: 0.001 seconds).